[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C20H22F3N3O2 — CID 24793452

IUPAC[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(C(F)(F)F)cc3)C2)n(C)n1
InChIInChI=1S/C20H22F3N3O2/c1-3-16-11-17(25(2)24-16)19(28)26-10-4-5-14(12-26)18(27)13-6-8-15(9-7-13)20(21,22)23/h6-9,11,14H,3-5,10,12H2,1-2H3
InChIKeyFNMWVYPZHWXEIC-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.74
Rot. Bonds4

About [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 24793452) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID24793452
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(C(F)(F)F)cc3)C2)n(C)n1
InChIInChI=1S/C20H22F3N3O2/c1-3-16-11-17(25(2)24-16)19(28)26-10-4-5-14(12-26)18(27)13-6-8-15(9-7-13)20(21,22)23/h6-9,11,14H,3-5,10,12H2,1-2H3
InChIKeyFNMWVYPZHWXEIC-UHFFFAOYSA-N
XLogP3.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 24793452) is [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is CCc1cc(C(=O)N2CCCC(C(=O)c3ccc(C(F)(F)F)cc3)C2)n(C)n1.
What is the InChIKey of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FNMWVYPZHWXEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-16-11-17(25(2)24-16)19(28)26-10-4-5-14(12-26)18(27)13-6-8-15(9-7-13)20(21,22)23/h6-9,11,14H,3-5,10,12H2,1-2H3.
What are the key properties of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 393.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24793452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).